1-methoxy-2-(methylsulfanylmethyl)butane

C7H16OS — CID 142185348

IUPAC1-methoxy-2-(methylsulfanylmethyl)butane
SMILESCCC(COC)CSC
InChIInChI=1S/C7H16OS/c1-4-7(5-8-2)6-9-3/h7H,4-6H2,1-3H3
InChIKeySABJWUIUJVPLED-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.02
Rot. Bonds5

About 1-methoxy-2-(methylsulfanylmethyl)butane

1-methoxy-2-(methylsulfanylmethyl)butane (PubChem CID 142185348) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 1-methoxy-2-(methylsulfanylmethyl)butane.

Molecular Properties

Compound Name1-methoxy-2-(methylsulfanylmethyl)butane
PubChem CID142185348
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name1-methoxy-2-(methylsulfanylmethyl)butane
SMILESCCC(COC)CSC
InChIInChI=1S/C7H16OS/c1-4-7(5-8-2)6-9-3/h7H,4-6H2,1-3H3
InChIKeySABJWUIUJVPLED-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Isopropyl-1,3-oxathiane
CID 12382465
1-Ethoxy-4-methylsulfanylbutane
CID 54104261
i-Amyl xanthate
CID 100956838
Butyraldehyde dimethyl thioacetal
CID 129804412
(5S)-5-propan-2-yl-1,3-oxathiane
CID 642764
1-(Ethylsulfanyl)-1-methoxy-2-methylpropane
CID 13228615
O-(3-methylbutyl) 3-methylbutylsulfanylmethanethioate
CID 13441495
5-Ethyl-1,3-oxathiane
CID 19349488
1-Methoxy-2-(methoxymethyl)-3-methylsulfanylpropane
CID 20798614
2-Methyl-1-(2-methylsulfanylethoxy)propane
CID 23568651
1-(2-Methoxyethylsulfanyl)-2-methylpropane
CID 52141712
1-Ethylsulfanyl-4-methoxybutane
CID 54469184

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methylsulfanylmethyl)butane?
The IUPAC name of 1-methoxy-2-(methylsulfanylmethyl)butane (CID 142185348) is 1-methoxy-2-(methylsulfanylmethyl)butane.
What is the SMILES notation for 1-methoxy-2-(methylsulfanylmethyl)butane?
The canonical SMILES for 1-methoxy-2-(methylsulfanylmethyl)butane is CCC(COC)CSC.
What is the InChIKey of 1-methoxy-2-(methylsulfanylmethyl)butane?
The InChIKey is SABJWUIUJVPLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-4-7(5-8-2)6-9-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-2-(methylsulfanylmethyl)butane?
1-methoxy-2-(methylsulfanylmethyl)butane has a molecular weight of 148.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methylsulfanylmethyl)butane is sourced from PubChem (CID 142185348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).